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Home > Indoles and Oxindole > 108973-42-8
108973-42-8 | 2-[(3-methyl-1H-indol-1-yl)methyl]benzoic acid
CAS No: 108973-42-8 Catalog No: AG01F9Z9 MDL No:
Product Description
Catalog Number:
AG01F9Z9
Chemical Name:
2-[(3-methyl-1H-indol-1-yl)methyl]benzoic acid
CAS Number:
108973-42-8
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
IUPAC Name:
2-[(3-methylindol-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C17H15NO2/c1-12-10-18(16-9-5-4-7-14(12)16)11-13-6-2-3-8-15(13)17(19)20/h2-10H,11H2,1H3,(H,19,20)
InChI Key:
FZALDPPOYNJLFS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Cn1cc(c2c1cccc2)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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